(4S)-3-[(3R)-3-(4-nitrophenyl)-3-sulfanyl-butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

Systemtic Name: (4S)-3-[(3R)-3-(4-nitrophenyl)-3-sulfanyl-butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one Openeye Name: (4S)-4-isopropyl-3-[(3R)-3-(4-nitrophenyl)-3-sulfanyl-butanoyl]oxazolidin-2-one CAS Name: (4S)-3-[(3R)-3-mercapto-3-(4-nitrophenyl)-1-oxobutyl]-4-propan-2-yl-2-oxazolidinone IUPAC Name: (4S)-3-[(3R)-3-(4-nitrophenyl)-3-sulfanylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one Traditional Name: (4S)-4-isopropyl-3-[(3R)-3-mercapto-3-(4-nitrophenyl)butanoyl]oxazolidin-2-one Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1COC(=O)N1C(=O)CC(C)(C2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(C)[C@H]1COC(=O)N1C(=O)C[C@](C)(C2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H20N2O5S/c1-10(2)13-9-23-15(20)17(13)14(19)8-16(3,24)11-4-6-12(7-5-11)18(21)22/h4-7,10,13,24H,8-9H2,1-3H3/t13-,16-/m1/s1